1,3-Benzothiazol-6-ylboronic acid
Product Information
Molecular Formula
C7H6BNO2S
Molecular Weight
179.00
Description
1,3-Benzothiazol-6-ylboronic acid is a biomedical compound utilized in pharmaceutical research, specifically for the creation of novel drugs. It has the ability to participate in Suzuki coupling reactions and can be used for drug synthesis route design.
Synonyms
benzo[d]thiazol-6-ylboronic acid; Benzo[D]Thiazol-6-YlboronicAcid; (1,3-benzothiazol-6-yl)boronic acid; 1,3-BENZOTHIAZOL-6-YLBORONIC ACID; 1,3-Benzothiazol-6-ylboronic acid; 8-Oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacidmonosodiumsalt
IUPAC Name
1,3-benzothiazol-6-ylboronic acid
SMILES
B(C1=CC2=C(C=C1)N=CS2)(O)O
InChI
InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChI Key
HGXFPSLIIZOVMB-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
179.0212298 g/mol
Monoisotopic Mass
179.0212298 g/mol
Topological Polar Surface Area
81.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
170
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021247916-A1 | Azetidine and spiroazetidine compounds and uses thereof | 2020-06-03 |
| WO-2021139775-A1 | Pyridone compound and application | 2020-01-10 |
| WO-2021113679-A1 | Dimeric compounds as sting agonists | 2019-12-06 |
| CN-112694477-A | Pyrazolo ring compound, pharmaceutical composition containing same, preparation method and application thereof | 2019-10-22 |
| WO-2021064677-A1 | Inhibitors of human immunodeficiency virus replication | 2019-10-04 |
| WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 2019-10-01 |
| AU-2018302178-A1 | 1,8-naphthyridinone compounds and uses thereof | 2017-07-18 |
| AU-2018302179-A1 | Heterocyclic compounds as adenosine antagonists | 2017-07-18 |
| CA-3070073-A1 | 1,8-naphthyridinone compounds and uses thereof | 2017-07-18 |
| EP-3654978-A1 | Heterocyclic compounds as adenosine antagonists | 2017-07-18 |
